SCHEMBL1494717

SCHEMBL1494717

Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.73
TP53 P04637 6/20 0.71
MAPT P10636 6/20 0.68
KDM4E B2RXH2 6/20 0.68
ALDH1A1 P00352 6/20 0.68
GLA P06280 5/20 0.68
GAA P10253 5/20 0.68
HPGD P15428 3/20 0.68
THRB P10828 3/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.67
MAPK1 P28482 1/20 0.67
LMNA P02545 1/20 0.65
RAB9A P51151 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL34462373 0.87 TP53 (0.81) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL22403266 0.85 POLB (0.86) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL22403278 0.85 POLB (1.00) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL22403238 0.83 TP53 (0.75) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL9956659 0.82 KDM4E (0.73) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL22403276 0.82 TP53 (0.75) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL25985895 0.82 POLB (0.75) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL22403265 0.81 KDM4E (0.79) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL25985894 0.81 POLB (0.69) POLBTP53MAPTKDM4EALDH1A1
SCHEMBL1494902 0.81 KDM4E (1.00) POLBTP53MAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 POLB 4721/4885TP53 1151/4885MAPT 3985/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.